SCHEMBL1413027

SCHEMBL1413027

O=C(NCCc1ccccc1OCc1ccccc1)c1cc(-n2ncc(=O)[nH]c2=O)ncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.59
ABCB11 O95342 1/20 0.58
SPR P35270 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.38
AKR1C3 P42330 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1412894 0.89 P2RX7 (0.76) P2RX7ABCB11
SCHEMBL1413016 0.87 P2RX7 (0.75) P2RX7ABCB11
SCHEMBL1412917 0.86 P2RX7 (0.62) P2RX7ABCB11SPRKMT2AAKR1C3
SCHEMBL1412964 0.85 P2RX7 (0.63) P2RX7ABCB11KMT2AMEN1NPC1
SCHEMBL1412855 0.82 P2RX7 (0.60) P2RX7ABCB11
SCHEMBL1412882 0.79 P2RX7 (0.68) P2RX7ABCB11KMT2AMEN1
SCHEMBL1412860 0.78 P2RX7 (0.77) P2RX7ABCB11KMT2AMEN1
SCHEMBL1412992 0.77 P2RX7 (0.54) P2RX7ABCB11
SCHEMBL1412944 0.76 P2RX7 (0.80) P2RX7ABCB11KMT2AMEN1RAB9A
SCHEMBL1412852 0.74 P2RX7 (1.00) P2RX7ABCB11SPRNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448535-B1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-03-16 EP disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2006-03-16 US disclosed
CN-1585755-A Benzamide and heteroarylamide as P2X7 receptor antagonists PFIZER PROD INC (US) 2005-02-23 CN disclosed
EP-1448535-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-08-25 EP disclosed
US-20030186981-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2003-10-02 US disclosed
WO-2003042191-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030186981-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 866/4885SPR 4441/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 443/4885SPR 4027/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.